MPQC  2.3.1
vector3.h
1 //
2 // vector3.h
3 //
4 // Copyright (C) 1996 Limit Point Systems, Inc.
5 //
6 // Author: Curtis Janssen <cljanss@limitpt.com>
7 // Maintainer: LPS
8 //
9 // This file is part of the SC Toolkit.
10 //
11 // The SC Toolkit is free software; you can redistribute it and/or modify
12 // it under the terms of the GNU Library General Public License as published by
13 // the Free Software Foundation; either version 2, or (at your option)
14 // any later version.
15 //
16 // The SC Toolkit is distributed in the hope that it will be useful,
17 // but WITHOUT ANY WARRANTY; without even the implied warranty of
18 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19 // GNU Library General Public License for more details.
20 //
21 // You should have received a copy of the GNU Library General Public License
22 // along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24 //
25 // The U.S. Government is granted a limited license as per AL 91-7.
26 //
27 
28 #ifndef _math_scmat_vector3_h
29 #define _math_scmat_vector3_h
30 #ifdef __GNUC__
31 #pragma interface
32 #endif
33 
34 #include <iostream>
35 #include <math.h>
36 
37 #include <util/misc/exenv.h>
38 #include <util/keyval/keyval.h>
39 
40 namespace sc {
41 
42 class RefSCVector;
43 class SCMatrix3;
44 
45 class SCVector3
46 {
47  friend class SCMatrix3;
48  private:
49  double _v[3];
50  public:
51  SCVector3() {}
52  SCVector3(const double p[3]) {
53  _v[0] = p[0]; _v[1] = p[1]; _v[2] = p[2];
54  }
55  SCVector3(double d) { _v[0] = d; _v[1] = d; _v[2] = d; }
56  SCVector3(double x,double y,double z) {
57  _v[0] = x; _v[1] = y; _v[2] = z;
58  }
59  SCVector3(const SCVector3&p) {
60  _v[0] = p._v[0]; _v[1] = p._v[1]; _v[2] = p._v[2];
61  }
62  SCVector3(const RefSCVector&);
63  SCVector3(const Ref<KeyVal>&);
64  void normalize();
65  SCVector3 operator -() { return SCVector3(-_v[0],-_v[1],-_v[2]); }
66  SCVector3 operator*(double) const;
67  void operator = (const double *x) {
68  _v[0] = x[0];
69  _v[1] = x[1];
70  _v[2] = x[2];
71  }
72  void operator = (const SCVector3& x) {
73  _v[0] = x._v[0];
74  _v[1] = x._v[1];
75  _v[2] = x._v[2];
76  }
77  void operator = (double d) { _v[0] = d; _v[1] = d; _v[2] = d; }
78  void operator -= (const SCVector3& v) {
79  _v[0] -= v._v[0];
80  _v[1] -= v._v[1];
81  _v[2] -= v._v[2];
82  }
83  void operator += (const SCVector3& v) {
84  _v[0] += v._v[0];
85  _v[1] += v._v[1];
86  _v[2] += v._v[2];
87  }
88  void operator *= (double m) { _v[0] *= m; _v[1] *= m; _v[2] *= m; }
89  SCVector3 operator+(const SCVector3&v) const {
90  SCVector3 result;
91  result._v[0] = _v[0] + v._v[0];
92  result._v[1] = _v[1] + v._v[1];
93  result._v[2] = _v[2] + v._v[2];
94  return result;
95  }
96  SCVector3 operator-(const SCVector3&v) const {
97  SCVector3 result;
98  result._v[0] = _v[0] - v._v[0];
99  result._v[1] = _v[1] - v._v[1];
100  result._v[2] = _v[2] - v._v[2];
101  return result;
102  }
103  double dot(const SCVector3&v) const {
104  return _v[0]*v._v[0] + _v[1]*v._v[1] + _v[2]*v._v[2]; }
105  SCVector3 cross(const SCVector3&) const;
106  // returns a unit vector that is perpendicular to the two vectors
107  SCVector3 perp_unit(const SCVector3&) const;
108  void spherical_coord(double theta, double phi,
109  double r);
110  void spherical_to_cartesian(SCVector3&cart) const;
111  double maxabs() const;
112  // this returns the length of the difference vector
113  double dist(const SCVector3&) const;
114  void rotate(double theta,SCVector3 &v);
115  double norm() const { return sqrt(this->dot(*this)); }
116  double& elem(int xyz) { return _v[xyz]; }
117  const double& elem(int xyz) const { return _v[xyz]; }
118  double& operator [] (int i) { return _v[i]; }
119  const double& operator [] (int i) const { return _v[i]; }
120  double& operator () (int i) { return _v[i]; }
121  const double& operator () (int i) const { return _v[i]; }
122  const double* data() const { return _v; }
123  double* data() { return _v; }
124  double& x() { return _v[0]; }
125  double& y() { return _v[1]; }
126  double& z() { return _v[2]; }
127  const double& x() const { return _v[0]; }
128  const double& y() const { return _v[1]; }
129  const double& z() const { return _v[2]; }
130  double& r() { return _v[0]; }
131  double& theta() { return _v[1]; }
132  double& phi() { return _v[2]; }
133  const double& r() const { return _v[0]; }
134  const double& theta() const { return _v[1]; }
135  const double& phi() const { return _v[2]; }
136  void print(std::ostream& =ExEnv::out0()) const;
137 };
138 SCVector3 operator*(double,const SCVector3&);
139 std::ostream &operator<<(std::ostream&, const SCVector3 &);
140 
141 }
142 
143 #ifdef INLINE_FUNCTIONS
144 #include <math/scmat/vector3_i.h>
145 #endif
146 
147 #endif
148 
149 // Local Variables:
150 // mode: c++
151 // c-file-style: "CLJ"
152 // End:
sc::Ref
A template class that maintains references counts.
Definition: ref.h:332
sc::SCMatrix3
Definition: matrix3.h:43
sc::RefSCVector
The RefSCVector class is a smart pointer to an SCVector specialization.
Definition: matrix.h:55
sc::SCVector3
Definition: vector3.h:45
sc::ExEnv::out0
static std::ostream & out0()
Return an ostream that writes from node 0.

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